SCHEMBL2489805

SCHEMBL2489805

CN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.45
ACACB O00763 4/20 0.43
ACACA Q13085 4/20 0.43
CYP2C9 P11712 2/20 0.43
GRM5 P41594 1/20 0.43
RECQL P46063 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRAF P15056 1/20 0.40
PIK3R1 P27986 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2489280 0.91 GSK3B (0.48) GSK3BACACBACACAGRM5RECQL
SCHEMBL2526541 0.91 GSK3B (0.45) GSK3BACACBACACACYP2C9GRM5
SCHEMBL2527052 0.88 MAP4K4 (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL2486230 0.87 GSK3B (0.45) GSK3BCYP1A2CYP2D6KDM4E
SCHEMBL2491329 0.86 GSK3B (0.48) GSK3BACACBACACACYP2C9GRM5
SCHEMBL2489165 0.86 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL2490222 0.85 GSK3B (0.45) GSK3BCYP2C9GRM5RECQLCYP1A2
SCHEMBL3749271 0.84 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL2529679 0.83 GPR119 (0.50) GSK3B
SCHEMBL2488825 0.83 GSK3B (0.46) GSK3BACACBACACACYP2C9GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885ACACB 1317/4885ACACA 1546/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.